2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

C16H13F2N3O4S — CID 41246883

IUPAC2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O4S/c17-11-3-4-12(18)15(10-11)26(22,23)19-7-9-25-16-6-5-13(20-21-16)14-2-1-8-24-14/h1-6,8,10,19H,7,9H2
InChIKeyMTAQTDFWJMDABV-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.37
Rot. Bonds7

About 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246883) has the molecular formula C16H13F2N3O4S and a molecular weight of 381.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246883
Molecular FormulaC16H13F2N3O4S
Molecular Weight381.36 g/mol
Exact Mass381.06
IUPAC Name2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O4S/c17-11-3-4-12(18)15(10-11)26(22,23)19-7-9-25-16-6-5-13(20-21-16)14-2-1-8-24-14/h1-6,8,10,19H,7,9H2
InChIKeyMTAQTDFWJMDABV-UHFFFAOYSA-N
XLogP2.37
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246889
3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246920
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 41246930
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
5-bromo-2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246894
N-[4-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethylsulfamoyl]phenyl]acetamide
CID 41246898
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 18588399
5-ethyl-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 18588400
2,6-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzamide
CID 41246588
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246883) is 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is MTAQTDFWJMDABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O4S/c17-11-3-4-12(18)15(10-11)26(22,23)19-7-9-25-16-6-5-13(20-21-16)14-2-1-8-24-14/h1-6,8,10,19H,7,9H2.
What are the key properties of 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 381.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).